2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole

C12H22N2O — CID 139460176

IUPAC2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole
SMILESCC(C)(C)Cc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C12H22N2O/c1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6/h7-8H2,1-6H3
InChIKeyVUXBIWMMYRWQEK-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.25
Rot. Bonds2

About 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole

2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole (PubChem CID 139460176) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole
PubChem CID139460176
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole
SMILESCC(C)(C)Cc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C12H22N2O/c1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6/h7-8H2,1-6H3
InChIKeyVUXBIWMMYRWQEK-UHFFFAOYSA-N
XLogP3.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole (CID 139460176) is 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole is CC(C)(C)Cc1nnc(CC(C)(C)C)o1.
What is the InChIKey of 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole?
The InChIKey is VUXBIWMMYRWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6/h7-8H2,1-6H3.
What are the key properties of 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole?
2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole has a molecular weight of 210.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 139460176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).